Resolutions of the Coulomb operator: VIII. Parallel implementation using the modern programming language X10
Use of the modern parallel programming language X10 for computing long-range Coulomb and exchange interactions is presented. By using X10, a partitioned global address space language with support for task parallelism and the explicit representation of data locality, the resolution of the Ewald operator can be parallelized in a straightforward manner including use of both intranode and internode parallelism. We evaluate four different schemes for dynamic load balancing of integral calculation...[Show more]
|Collections||ANU Research Publications|
|Source:||Journal of Computational Chemistry|
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